General Information of the Compound
| Compound ID |
CP0376359
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| Compound Name |
2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C24H27N3O4
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| Molecular Weight |
421.497
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| Canonical SMILES |
O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)C(=O)c2ccccc12
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| InChI |
InChI=1S/C24H27N3O4/c28-23-18-6-1-2-7-19(18)24(29)27(23)11-4-3-10-25-12-14-26(15-13-25)20-8-5-9-21-22(20)31-17-16-30-21/h1-2,5-9H,3-4,10-17H2
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| InChIKey |
MNGOGZQMMAJHCK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound